Geometry & MOs

Info

ID:	78666
PubChem CID:	49703656
Reduced:	O2F3N3H14C19 (1)
Stoich.:	A2B3C3D14E19 (1)
Weight, g/mol:	394.089975
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	5.06
IP(EA), eV:	-9.11(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)F)F)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations